Geometry & MOs

Info

ID:	153686
PubChem CID:	56312978
Reduced:	FSN3O4H20C23 (1)
Stoich.:	ABC3D4E20F23 (1)
Weight, g/mol:	448.172225
ΔH_f, kcal/mol:	-93.18
Dipole, Da:	7.19
IP(EA), eV:	-9.18(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide

Drug info:

PubChemData

Smile

CNS(=O)(=O)C1=CC2=C(C=C1)N(CC2)C(=O)/C=C/C3=CC(=C(C=C3)OC4=CN=CC=C4)F

DOS

IR

Vibrations